1-[(2-Chloroethyl)sulfonyl]-3-(trifluoromethyl)benzene

C9H8ClF3O2SCAS 175203-09-5272.67 g/mol

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OSOClFFF
Alkyl halideSulfone

Properties

Molecular formula
C9H8ClF3O2S
Molar mass
272.67 g/mol
Exact mass
271.9886 Da
logP
2.72Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
175203-09-5
SMILES
O=S(=O)(CCCl)c1cccc(C(F)(F)F)c1
InChIKey
YUZZZNBYRRMSPV-UHFFFAOYSA-N
InChI
InChI=1S/C9H8ClF3O2S/c10-4-5-16(14,15)8-3-1-2-7(6-8)9(11,12)13/h1-3,6H,4-5H2

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Names and synonyms

3 names
  • Benzene, 1-[(2-chloroethyl)sulfonyl]-3-(trifluoromethyl)-
  • 1-(2-Chloroethylsulfonyl)-3-trifluoromethylbenzene
  • 2-Chloroethyl-[3-(trifluoromethyl)phenyl]sulphone

Work with 1-[(2-Chloroethyl)sulfonyl]-3-(trifluoromethyl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

m-Trifluoromethylbenzenesulfonyl chloride777-44-656 % similar ((2-Chloroethyl)sulphonyl)benzene938-09-056 % similar 3-(Trifluoromethyl)benzene-1-sulfonamide672-58-253 % similar 2-Chloroethyl 4-fluorophenyl sulfone33330-46-048 % similar 3-(Trifluoromethyl)benzyl chloride705-29-345 % similar 3,5-Bis(trifluoromethyl)benzene402-31-344 % similar 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-944 % similar 3-Chlorobenzotrifluoride98-15-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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